SCHEMBL3568089

SCHEMBL3568089

c1nc(C2CCNCC2)c2ccc(OC3CCOCC3)cc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 4/20 0.43
ROCK2 O75116 1/20 0.39
PRKACA P17612 1/20 0.39
PRKCD Q05655 1/20 0.39
PRKG1 Q13976 1/20 0.39
PKN1 Q16512 1/20 0.39
PKN2 Q16513 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
CDC42BPA Q5VT25 1/20 0.39
Q6ZSR9 Q6ZSR9 1/20 0.39
BMP2K Q9NSY1 1/20 0.39
CDC42BPB Q9Y5S2 1/20 0.39
IKBKB O14920 1/20 0.38
LRRK2 Q5S007 2/20 0.37
MAPK7 Q13164 2/20 0.37
PIK3CD O00329 2/20 0.37
IKBKE Q14164 2/20 0.36
TBK1 Q9UHD2 2/20 0.36
CHEK1 O14757 1/20 0.36
DYRK1A Q13627 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3565377 0.93 LRRK2 (0.42) ROCK1ROCK2PRKACAPRKCDPRKG1
SCHEMBL3573033 0.93 LRRK2 (0.42) ROCK1ROCK2PRKACAPRKCDPRKG1
SCHEMBL3565373 0.93 LRRK2 (0.42) ROCK1ROCK2PRKACAPRKCDPRKG1
SCHEMBL3575984 0.84 SLC6A2 (0.43) MAPK7CHEK1PRKCZKHK
SCHEMBL3566315 0.84 MAOA (0.45) ROCK1MAPK7DYRK1ASRC
SCHEMBL4963703 0.81 MAPK7 (0.50) MAPK7
SCHEMBL3570195 0.80 MAPK7 (0.53) MAPK7EGFR
SCHEMBL3573135 0.78 CHEK1 (0.53) CHEK1SRC
SCHEMBL3563690 0.78 CHEK1 (0.59) CHEK1SRC
SCHEMBL4967857 0.76 FKBP1A (0.49) MAPK7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825244-B2 Intermediates useful in the synthesis of alkylquinoline and alkylquinazoline kinase modulators, and related methods of synthesis JANSSEN PHARMACEUTICA NV (BE) 2010-11-02 US disclosed
US-7825244-B2 Intermediates useful in the synthesis of alkylquinoline and alkylquinazoline kinase modulators, and related methods of synthesis JANSSEN PHARMACEUTICA NV (BE) 2010-11-02 US disclosed
US-7825244-B2 Intermediates useful in the synthesis of alkylquinoline and alkylquinazoline kinase modulators, and related methods of synthesis JANSSEN PHARMACEUTICA NV (BE) 2010-11-02 US disclosed
EP-1891040-A1 INTERMEDIATES USEFUL IN THE SYNTHESIS OF ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS AND RELATED METHODS OF SYNTHESIS JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-27 EP disclosed
US-20070021436-A1 INTERMEDIATES USEFUL IN THE SYNTHESIS OF ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS, AND RELATED METHODS OF SYNTHESIS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-25 US disclosed
US-20070021436-A1 INTERMEDIATES USEFUL IN THE SYNTHESIS OF ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS, AND RELATED METHODS OF SYNTHESIS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-25 US disclosed
US-20070021436-A1 INTERMEDIATES USEFUL IN THE SYNTHESIS OF ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS, AND RELATED METHODS OF SYNTHESIS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-25 US disclosed
WO-2006135646-A1 INTERMEDIATES USEFUL IN THE SYNTHESIS OF ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS AND RELATED METHODS OF SYNTHESIS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070021436-A1 INTERMEDIATES USEFUL IN THE SYNTHESIS OF ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS, AND RELATED METHODS OF SYNTHESIS FLT3, ABL1, KIT ROCK1 240/4885ROCK2 471/4885PRKACA 75/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.